Information card for entry 7106462

Structure parameters

• Formula: C29.5 H27 N6 O7.5
• Calculated formula: C29.5 H27 N6 O7.5
• Title of publication: Computational prediction and experimental verification of pyridine-based helical oligoamides containing four repeating units per helical turn
• Authors of publication: 'Wei Qiang Ong; Huaiqing Zhao; Zhiyun Du; Jared Ze Yang Yeh; Changliang Ren; Leon Zhen Wei Tan; Kun Zhang; Huaqiang Zeng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6416
• a: 11.0265 ± 0.0011 Å
• b: 7.7675 ± 0.0008 Å
• c: 32.872 ± 0.003 Å
• α: 90°
• β: 96.551 ± 0.003°
• γ: 90°
• Cell volume: 2797 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.1146
• Weighted residual factors for significantly intense reflections: 0.2346
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No